tert-butyl 6-[(5-amino-5-oxopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C14H26N4O3 — CID 106238613

IUPACtert-butyl 6-[(5-amino-5-oxopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCCCCC(N)=O)C1
InChIInChI=1S/C14H26N4O3/c1-14(2,3)21-13(20)18-9-8-17-12(10-18)16-7-5-4-6-11(15)19/h4-10H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyDTZONBXQHAMSFB-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.88
Rot. Bonds5

About tert-butyl 6-[(5-amino-5-oxopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[(5-amino-5-oxopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 106238613) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is tert-butyl 6-[(5-amino-5-oxopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(5-amino-5-oxopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID106238613
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Nametert-butyl 6-[(5-amino-5-oxopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCCCCC(N)=O)C1
InChIInChI=1S/C14H26N4O3/c1-14(2,3)21-13(20)18-9-8-17-12(10-18)16-7-5-4-6-11(15)19/h4-10H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyDTZONBXQHAMSFB-UHFFFAOYSA-N
XLogP0.88
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[5-[(N'-methylcarbamimidoyl)amino]pentanoyl]piperazine-1-carboxylate
CID 90995947
tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397857
tert-butyl 6-(pentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397863
tert-butyl 6-(butylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397869
tert-butyl 6-(pentylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397870
tert-butyl 6-[[2-(methylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397910
tert-butyl 6-[[2-(dimethylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397911
tert-butyl 6-(2-acetamidoethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397934
tert-butyl 6-[(3-amino-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397935
tert-butyl 6-[[2-(ethylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397937
tert-butyl 6-[[2-oxo-2-(propylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397938
tert-butyl 6-[(4-amino-4-oxobutyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397950

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(5-amino-5-oxopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(5-amino-5-oxopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 106238613) is tert-butyl 6-[(5-amino-5-oxopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(5-amino-5-oxopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(5-amino-5-oxopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NCCCCC(N)=O)C1.
What is the InChIKey of tert-butyl 6-[(5-amino-5-oxopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is DTZONBXQHAMSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-14(2,3)21-13(20)18-9-8-17-12(10-18)16-7-5-4-6-11(15)19/h4-10H2,1-3H3,(H2,15,19)(H,16,17).
What are the key properties of tert-butyl 6-[(5-amino-5-oxopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(5-amino-5-oxopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 298.39 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(5-amino-5-oxopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 106238613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).